MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02674122

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

OC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C15H14N2O3/c1-10-4-2-3-5-13(10)17-15(20)16-12-8-6-11(7-9-12)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9205 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.38192	SlogP: 3.33722	Reactive groups: 0

Topological Properties
Globularity: 0.0147318	Sterimol/B1: 2.22923	Sterimol/B2: 2.32395	Sterimol/B3: 2.84615
Sterimol/B4: 6.77607	Sterimol/L: 16.0019

Surface and Volume Properties
Accessible surface: 499.859	Positive charged surface: 287.91	Negative charged surface: 211.949	Volume: 254.5
Hydrophobic surface: 354.332	Hydrophilic surface: 145.527

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02674123
PUBCHEM-ZINC00397447